CID 261368

Nsc93362

Structural Information

Molecular Formula
C21H20O5
SMILES
CCC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20O5/c1-4-17-20(13-6-8-14(24-3)9-7-13)21(23)16-11-10-15(12-18(16)26-17)25-19(22)5-2/h6-12H,4-5H2,1-3H3
InChIKey
FXYYFBSCGHYAKE-UHFFFAOYSA-N
Compound name
[2-ethyl-3-(4-methoxyphenyl)-4-oxochromen-7-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 182.0
[M+Na]+ 375.12029 191.3
[M-H]- 351.12379 191.0
[M+NH4]+ 370.16489 195.0
[M+K]+ 391.09423 189.1
[M+H-H2O]+ 335.12833 173.1
[M+HCOO]- 397.12927 203.0
[M+CH3COO]- 411.14492 215.9
[M+Na-2H]- 373.10574 185.5
[M]+ 352.13052 189.7
[M]- 352.13162 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.